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Quantum Espresso je preveden s Intel 2019 i MVAPICH2 2.2.

Dostupne verzije su:

VerzijaModul
5.4.0quantum-espresso/5.4.0
6.3

quantum-espresso/6.3

6.6quantum-espresso/6.6
6.7quantum-espresso/6.7

Primjer korištenja:

module load quantum-espresso/6.3
mpirun_rsh -np $NSLOTS -hostfile $TMPDIR/machines MV2_ENABLE_AFFINITY=0 $QE_DIR/bin/pw.x ...
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